[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine

C17H16N2OS — CID 64717924

IUPAC[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESCOc1ccccc1-c1nc(CN)c(-c2ccccc2)s1
InChIInChI=1S/C17H16N2OS/c1-20-15-10-6-5-9-13(15)17-19-14(11-18)16(21-17)12-7-3-2-4-8-12/h2-10H,11,18H2,1H3
InChIKeyFQKKNIVUTWXVDG-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.94
Rot. Bonds4

About [2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine

[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine (PubChem CID 64717924) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
PubChem CID64717924
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESCOc1ccccc1-c1nc(CN)c(-c2ccccc2)s1
InChIInChI=1S/C17H16N2OS/c1-20-15-10-6-5-9-13(15)17-19-14(11-18)16(21-17)12-7-3-2-4-8-12/h2-10H,11,18H2,1H3
InChIKeyFQKKNIVUTWXVDG-UHFFFAOYSA-N
XLogP3.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64718144
2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 8965022
[2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717494
(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine
CID 133060775
2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline
CID 79007291
[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716446
2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 39902669
5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709903
[2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 79718586
2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine
CID 93216518
2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432590
4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide
CID 82429979

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine (CID 64717924) is [2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine is COc1ccccc1-c1nc(CN)c(-c2ccccc2)s1.
What is the InChIKey of [2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The InChIKey is FQKKNIVUTWXVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-20-15-10-6-5-9-13(15)17-19-14(11-18)16(21-17)12-7-3-2-4-8-12/h2-10H,11,18H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine has a molecular weight of 296.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 64717924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).